Data from: σ-Aromaticity in the MoS2 Monolayer

Alexander Boldyrev & Maksim Kulichenko
As is shown using the SSAdNDP approach, Mo and S form 2-centered bonds and there is a lone pair on each S. Most importantly, the remaining electrons are distributed over Mo atoms and form conjugated aromatic σ-bonds inside every hexagonal ring, which makes molybdenum the main carrier of σ-aromaticity.
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